SCHEMBL1283333

SCHEMBL1283333

[CH2]c1onc(-c2c(Cl)cccc2Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
POLB P06746 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
KMT2A Q03164 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1283334 0.81 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL2306450 0.79 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL12878996 0.76 NR1H4 (0.57) ALDH1A1TSHRL3MBTL1
SCHEMBL10394020 0.74 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL14641959 0.73 NR1H4 (0.46) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL20031507 0.73 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL18724861 0.71 TDP1 (0.45) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL18724953 0.71 NR1H4 (0.49) ALDH1A1TSHRL3MBTL1GAALMNA
SCHEMBL23303024 0.71 NR1H4 (0.56)
SCHEMBL11911198 0.71 LMNA (0.57) ALDH1A1LMNAMAPTKDM4ENPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP claimed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3404/4885TSHR 3842/4885L3MBTL1 4864/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3202/4885TSHR 3917/4885L3MBTL1 4864/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885TSHR 3767/4885L3MBTL1 4861/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ALDH1A1 3093/4885TSHR 3767/4885L3MBTL1 4861/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885TSHR 3767/4885L3MBTL1 4861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.